ChemDiv1_014687
TL;DR: ChemDiv1_014687 (CAS 450352-03-1) is a chemical compound with molecular formula C24H21N3OS2 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-ylsulfanyl)-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: ChemDiv1_014687, F0545-1398, 2-((1H-indol-3-yl)thio)-1-(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-(1H-indol-3-ylsulfanyl)-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone, 2-(1H-INDOL-3-YLSULFANYL)-1-[5-(4-METHYLPHENYL)-3-(THIOPHEN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]ETHAN-1-ONE
| Molecular Formula | C24H21N3OS2 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 6.00782 |
| Topological Polar Surface Area | 48.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1126 |
| Heavy Atoms | 30 |
| Complexity | 1208.9833 |
Chemical Identifiers
| CAS Number | 450352-03-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CNC4=CC=CC=C43)C5=CC=CS5 |
Product Overview
ChemDiv1_014687 (CAS 450352-03-1), with molecular formula C24H21N3OS2 and molecular weight 431.11 g/mol. IUPAC: 2-(1H-indol-3-ylsulfanyl)-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of ChemDiv1_014687
Property Insights of ChemDiv1_014687
The XLogP value of 6.00782 indicates that ChemDiv1_014687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.46 Ų, ChemDiv1_014687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_014687 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014687?
The CAS number of ChemDiv1_014687 is 450352-03-1.
What is the molecular formula of ChemDiv1_014687?
The molecular formula of ChemDiv1_014687 is C24H21N3OS2.
What is the molecular weight of ChemDiv1_014687?
The molecular weight of ChemDiv1_014687 is 431.11 g/mol.
Where can I buy ChemDiv1_014687?
You can request a quote for ChemDiv1_014687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014687?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.